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BDBM320331 4-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-oxan-4-yl(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl]-N,N-dimethylpiperazine-1-carboxamide::US10174024, Example 49

SMILES: CN(C)C(=O)N1CCN(CC1)c1ccc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cnc21)-c1c(C)nnn1C

InChI Key: InChIKey=AONHSVXHHAVRST-MGBGTMOVSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 320331   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM320331
PNG
(4-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-oxan-...)
Show SMILES CN(C)C(=O)N1CCN(CC1)c1ccc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cnc21)-c1c(C)nnn1C
Show InChI InChI=1S/C34H40N8O2/c1-23-32(39(4)37-36-23)26-20-30-31(35-22-26)28-11-10-27(40-14-16-41(17-15-40)34(43)38(2)3)21-29(28)42(30)33(24-8-6-5-7-9-24)25-12-18-44-19-13-25/h5-11,20-22,25,33H,12-19H2,1-4H3/t33-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10174024 (2019)

More data for this
Ligand-Target Pair